BDBM31082 5,5-dimethyl-2-[(2-methylsulfanylanilino)methylidene]cyclohexane-1,3-dione::5,5-dimethyl-2-[[(2-methylsulfanylphenyl)amino]methylidene]cyclohexane-1,3-dione::5,5-dimethyl-2-[[2-(methylthio)anilino]methylene]cyclohexane-1,3-quinone::5,5-dimethyl-2-[[2-(methylthio)anilino]methylidene]cyclohexane-1,3-dione::MLS000106977::SMR000111352::cid_868608

SMILES [#6]-[#16]-c1ccccc1-[#7]\[#6]=[#6]-1\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-1=O

InChI Key InChIKey=FYDYFCVFSBCDMR-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 31082   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31082(5,5-dimethyl-2-[(2-methylsulfanylanilino)methylide...)
Affinity DataIC50:  1.88E+3nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31082(5,5-dimethyl-2-[(2-methylsulfanylanilino)methylide...)
Affinity DataIC50:  4.33E+3nMAssay Description:External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31082(5,5-dimethyl-2-[(2-methylsulfanylanilino)methylide...)
Affinity DataIC50:  2.36E+3nMpH: 7.4 T: 2°CAssay Description:To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay